5-propyl-1,3,5-dithiazinane

C6H13NS2 — CID 14867453

IUPAC5-propyl-1,3,5-dithiazinane
SMILESCCCN1CSCSC1
InChIInChI=1S/C6H13NS2/c1-2-3-7-4-8-6-9-5-7/h2-6H2,1H3
InChIKeyFOGZOTQSADDCET-UHFFFAOYSA-N
MW163.31 g/mol
LogP2.05
Rot. Bonds2

About 5-propyl-1,3,5-dithiazinane

5-propyl-1,3,5-dithiazinane (PubChem CID 14867453) has the molecular formula C6H13NS2 and a molecular weight of 163.31 g/mol. Its IUPAC name is 5-propyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name5-propyl-1,3,5-dithiazinane
PubChem CID14867453
Molecular FormulaC6H13NS2
Molecular Weight163.31 g/mol
Exact Mass163.05
IUPAC Name5-propyl-1,3,5-dithiazinane
SMILESCCCN1CSCSC1
InChIInChI=1S/C6H13NS2/c1-2-3-7-4-8-6-9-5-7/h2-6H2,1H3
InChIKeyFOGZOTQSADDCET-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Propan-2-yl-1,3,5-dithiazinane
CID 3529636
5-Ethyl-1,3,5-dithiazinane
CID 2724694
5-Butyl-1,3,5-dithiazinane
CID 15253873
5-(2-Methylpropyl)-1,3,5-dithiazinane
CID 15253874
5-Ethyl-1,3,5-dithiazinane;hydrochloride
CID 44887074

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,3,5-dithiazinane?
The IUPAC name of 5-propyl-1,3,5-dithiazinane (CID 14867453) is 5-propyl-1,3,5-dithiazinane.
What is the SMILES notation for 5-propyl-1,3,5-dithiazinane?
The canonical SMILES for 5-propyl-1,3,5-dithiazinane is CCCN1CSCSC1.
What is the InChIKey of 5-propyl-1,3,5-dithiazinane?
The InChIKey is FOGZOTQSADDCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS2/c1-2-3-7-4-8-6-9-5-7/h2-6H2,1H3.
What are the key properties of 5-propyl-1,3,5-dithiazinane?
5-propyl-1,3,5-dithiazinane has a molecular weight of 163.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,3,5-dithiazinane is sourced from PubChem (CID 14867453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).